KEGG   COMPOUND: C08994Help
Entry
C08994                      Compound                               

Name
Aloesin
Formula
C19H22O9
Exact mass
394.1264
Mol weight
394.3726
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Polyketides
  Pyrones
   Chromones
    C08994  Aloesin
BRITE hierarchy
Other DBs
CAS: 30861-27-9
PubChem: 11186
ChEBI: 2608
KNApSAcK: C00002415
3DMET: B02594
NIKKAJI: J17.941H
KCF data Show

ATOM        28
            1   C1y C    22.4813  -15.6028
            2   C1y C    21.2807  -14.8835
            3   C1y C    21.3077  -13.4831
            4   C1y C    22.5349  -12.8030
            5   C1y C    23.7350  -13.5300
            6   O2x O    23.7078  -14.9305
            7   O1a O    20.0609  -15.5573
            8   O1a O    20.1146  -12.7562
            9   O1a O    22.5621  -11.4027
            10  C1b C    24.9623  -12.8500
            11  O1a O    24.9868  -11.4566
            12  C8y C    22.4590  -17.0010
            13  C8y C    21.2570  -17.7297
            14  C8x C    21.2859  -19.1301
            15  C8y C    22.5166  -19.8017
            16  C8y C    23.6830  -17.6798
            17  C8y C    23.6360  -19.0802
            18  C8y C    24.9240  -19.7572
            19  C8x C    26.1263  -19.0407
            20  C8y C    26.1034  -17.6402
            21  O2x O    24.8781  -16.9565
            22  C1a C    22.5489  -21.2018
            23  O1a O    20.0292  -17.0505
            24  C1b C    27.3055  -16.9168
            25  C5a C    28.5307  -17.6007
            26  C1a C    29.7330  -16.8771
            27  O5a O    28.5536  -19.0010
            28  O5x O    24.9468  -21.1577
BOND        30
            1     4   5 1
            2     5   6 1
            3     6   1 1
            4     2   7 1 #Down
            5     3   8 1 #Up
            6     4   9 1 #Down
            7     5  10 1 #Up
            8    10  11 1
            9     1  12 1 #Up
            10    1   2 1
            11    2   3 1
            12    3   4 1
            13   15  17 1
            14   24  25 1
            15   16  12 1
            16   25  26 1
            17   12  13 2
            18   25  27 2
            19   16  17 2
            20   18  28 2
            21   17  18 1
            22   18  19 1
            23   19  20 2
            24   20  21 1
            25   21  16 1
            26   15  22 1
            27   13  14 1
            28   13  23 1
            29   14  15 2
            30   20  24 1

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